Home Nitros 2-[(5-nitroquinolin-8-yl)oxy]acetic acid

2-[(5-nitroquinolin-8-yl)oxy]acetic acid

CAS No.:
118249-55-1
Catalog Number:
AG01A12F
Molecular Formula:
C11H8N2O5
Molecular Weight:
248.1916
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Product Description
Catalog Number:
AG01A12F
Chemical Name:
2-[(5-nitroquinolin-8-yl)oxy]acetic acid
CAS Number:
118249-55-1
Molecular Formula:
C11H8N2O5
Molecular Weight:
248.1916
MDL Number:
MFCD13232222
IUPAC Name:
2-(5-nitroquinolin-8-yl)oxyacetic acid
InChI:
InChI=1S/C11H8N2O5/c14-10(15)6-18-9-4-3-8(13(16)17)7-2-1-5-12-11(7)9/h1-5H,6H2,(H,14,15)
InChI Key:
QYEJMQBTJAWJIM-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(c2c1nccc2)[N+](=O)[O-]
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.043g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.194g/mol
Monoisotopic Mass:
248.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties